(2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid

Base Information

Chemical Name:(2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid
CAS No.:103854-26-8
Molecular Formula:C11H15NO2
Molecular Weight:193.246
Hs Code.:2922499990
DSSTox Substance ID:DTXSID801309081
Nikkaji Number:J303.817C
Mol file:103854-26-8.mol

Synonyms:103854-26-8;(2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;Phenylalanine, 2,6-dimethyl-;2,6-Dimethyl-L-Phenylalanine;2,6-di-methylphenylalanine;SCHEMBL38535;DTXSID801309081;AKOS017405217;AS-59496;EN300-393063;N13198;(S)-2-Amino-3-(2,6-dimethylphenyl)propanoicacid

Suppliers and Price of (2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
(2S)-2-AMINO-3-(2,6-DIMETHYLPHENYL)PROPANOIC ACID 95.00%
5MG
$ 499.40

AK Scientific
(2S)-2-Amino-3-(2,6-dimethylphenyl)propanoicacid
100mg
$ 521.00

Total 5 raw suppliers

Chemical Property of (2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid

Chemical Property:

PSA：63.32000
LogP:1.95810
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.110278721
Heavy Atom Count:14
Complexity:196

Purity/Quality:

99% ^*data from raw suppliers

(2S)-2-AMINO-3-(2,6-DIMETHYLPHENYL)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C)CC(C(=O)O)N
Isomeric SMILES:CC1=C(C(=CC=C1)C)C[C@@H](C(=O)O)N

Technology Process of (2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid

There total 14 articles about (2S)-2-amino-3-(2,6-dimethylphenyl)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

: 103854-26-8
α-(S)-2',6'-dimethylphenylalanine

Guidance literature:: With hydrogenchloride; In methanol; at 70 ℃;
DOI:10.1016/S0040-4020(01)00504-X

Reference yield:

: 608-28-6
2,6-dimethyliodobenzene

: 103854-26-8
α-(S)-2',6'-dimethylphenylalanine

Guidance literature:: Multi-step reaction with 5 steps

1.1: 94 percent / Pd(OAc)2; Et₃N; (2-MeC₆H₄)3P / acetonitrile / 24 h / Heating

2.1: 99 percent / 1 M aq. NaOH / dioxane / 2 h / 20 °C

3.1: H₂ / 10 percent Pd/C / ethyl acetate / 70 °C / 3040 Torr

4.1: Et₃N; DCC; HOBt / dimethylformamide / 5 h / 0 - 20 °C

5.1: conc. HCl / 8 h / Heating

5.2: H₂O / pH 4 - 6

With hydrogenchloride; palladium diacetate; sodium hydroxide; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; tris-(o-tolyl)phosphine; palladium on activated charcoal; In 1,4-dioxane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0960-894X(00)00665-X

Reference yield:

: 576-22-7
2-Bromo-m-xylene

: 103854-26-8
α-(S)-2',6'-dimethylphenylalanine

Guidance literature:: Multi-step reaction with 6 steps

1.1: 1,2-dimethoxy-ethane / 2 h

1.2: I₂ / tetrahydrofuran / 3 h / 20 °C

2.1: 94 percent / Pd(OAc)2; Et₃N; (2-MeC₆H₄)3P / acetonitrile / 24 h / Heating

3.1: 99 percent / 1 M aq. NaOH / dioxane / 2 h / 20 °C

4.1: H₂ / 10 percent Pd/C / ethyl acetate / 70 °C / 3040 Torr

5.1: Et₃N; DCC; HOBt / dimethylformamide / 5 h / 0 - 20 °C

6.1: conc. HCl / 8 h / Heating

6.2: H₂O / pH 4 - 6

With hydrogenchloride; palladium diacetate; sodium hydroxide; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; tris-(o-tolyl)phosphine; palladium on activated charcoal; In 1,4-dioxane; 1,2-dimethoxyethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0960-894X(00)00665-X